2-propan-2-ylsulfanyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole

Systemtic Name: 2-propan-2-ylsulfanyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole Openeye Name: 2-isopropylsulfanyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole CAS Name: 2-(propan-2-ylthio)-1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]benzimidazole IUPAC Name: 2-propan-2-ylsulfanyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole Traditional Name: 2-(isopropylthio)-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole Formula: C20H27N5S+2 MolecularWeight: 369.52688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=CC=CC=C2N1C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)SC1=NC2=CC=CC=C2N1C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H25N5S/c1-16(2)26-20-22-17-7-3-4-8-18(17)25(20)15-23-11-13-24(14-12-23)19-9-5-6-10-21-19/h3-10,16H,11-15H2,1-2H3/p+2